3-fluoro-2-methoxy-5-propan-2-ylbenzenesulfonyl chloride

C10H12ClFO3S — CID 84711718

IUPAC3-fluoro-2-methoxy-5-propan-2-ylbenzenesulfonyl chloride
SMILESCOc1c(F)cc(C(C)C)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H12ClFO3S/c1-6(2)7-4-8(12)10(15-3)9(5-7)16(11,13)14/h4-6H,1-3H3
InChIKeyWYRXFAATDQSSMR-UHFFFAOYSA-N
MW266.72 g/mol
LogP2.89
Rot. Bonds3

About 3-fluoro-2-methoxy-5-propan-2-ylbenzenesulfonyl chloride

3-fluoro-2-methoxy-5-propan-2-ylbenzenesulfonyl chloride (PubChem CID 84711718) has the molecular formula C10H12ClFO3S and a molecular weight of 266.72 g/mol. Its IUPAC name is 3-fluoro-2-methoxy-5-propan-2-ylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-2-methoxy-5-propan-2-ylbenzenesulfonyl chloride
PubChem CID84711718
Molecular FormulaC10H12ClFO3S
Molecular Weight266.72 g/mol
Exact Mass266.02
IUPAC Name3-fluoro-2-methoxy-5-propan-2-ylbenzenesulfonyl chloride
SMILESCOc1c(F)cc(C(C)C)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H12ClFO3S/c1-6(2)7-4-8(12)10(15-3)9(5-7)16(11,13)14/h4-6H,1-3H3
InChIKeyWYRXFAATDQSSMR-UHFFFAOYSA-N
XLogP2.89
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methoxy-5-propan-2-ylbenzenesulfonyl chloride?
The IUPAC name of 3-fluoro-2-methoxy-5-propan-2-ylbenzenesulfonyl chloride (CID 84711718) is 3-fluoro-2-methoxy-5-propan-2-ylbenzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-2-methoxy-5-propan-2-ylbenzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-2-methoxy-5-propan-2-ylbenzenesulfonyl chloride is COc1c(F)cc(C(C)C)cc1S(=O)(=O)Cl.
What is the InChIKey of 3-fluoro-2-methoxy-5-propan-2-ylbenzenesulfonyl chloride?
The InChIKey is WYRXFAATDQSSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO3S/c1-6(2)7-4-8(12)10(15-3)9(5-7)16(11,13)14/h4-6H,1-3H3.
What are the key properties of 3-fluoro-2-methoxy-5-propan-2-ylbenzenesulfonyl chloride?
3-fluoro-2-methoxy-5-propan-2-ylbenzenesulfonyl chloride has a molecular weight of 266.72 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methoxy-5-propan-2-ylbenzenesulfonyl chloride is sourced from PubChem (CID 84711718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).